SCHEMBL4530032

SCHEMBL4530032

O=C(O)N1CCC(C2OCc3cc(Br)ccc3O2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
FAAH O00519 2/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL3 Q96JM7 3/20 0.33
BACE1 P56817 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32
GLS O94925 1/20 0.31
NAMPT P43490 1/20 0.31
AKR1B1 P15121 1/20 0.31
CHRNA7 P36544 1/20 0.31
CCR1 P32246 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL4 Q8NA19 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CAMK2A Q9UQM7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4520359 0.88 L3MBTL3 (0.43) ALDH1A1PKMKMT2AL3MBTL3MBTD1
SCHEMBL4536182 0.83 GPR119 (0.45) NAMPTNPC1RAB9ATHRB
SCHEMBL4529914 0.82 SMN1; SMN2 (0.49) ALDH1A1FAAHKMT2ANPC1RAB9A
SCHEMBL4529829 0.81 GPR142 (0.43) NAMPT
SCHEMBL4536379 0.80
SCHEMBL4535866 0.80 GPR119 (0.36)
SCHEMBL4347925 0.78 USP30 (0.40)
SCHEMBL4538463 0.77 NPY2R (0.39) ALDH1A1
SCHEMBL4540933 0.77 CYP11B1 (0.44) NAMPT
SCHEMBL4534161 0.77 SCD5 (0.41) ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed